(1R,4S,7As)-4-Methoxy-1-[(2E)-1-Oxo-2-Buten-2-Yl]-2,4,5,6,7,7A-Hexahydro-1H-Isoindole-3-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C14H19NO4 |
| IUPAC Name | (3r,3as,7s)-3-[(e)-1-formylprop-1-enyl]-7-methoxy-3,3a,4,5,6,7-hexahydro-2h-isoindole-1-carboxylic acid |
| Molecular Mass | 265.305 g·mol−1 |
| Heat of Formation | -599.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.42 ± 1.08 D |
| Volume | 322.18 Å 3 |
| Surface Area | 272.93 Å 2 |
| HOMO Energy | -8.64 ± 0.55 eV |
| LUMO Energy | 2.66 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZYKSDPVHVMSKIL-IIHMJNQGSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |